SCHEMBL5680929

SCHEMBL5680929

Cc1ccc(N=CC=Nc2ccc(C)c(C)c2)cc1C.[Ni]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
MAPT P10636 8/20 0.41
RAB9A P51151 2/20 0.41
S100B P04271 1/20 0.41
PMM2 O15305 1/20 0.38
MPI P34949 1/20 0.38
KMT2A Q03164 5/20 0.35
HSD17B10 Q99714 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 3/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 2/20 0.32
TRPA1 O75762 1/20 0.32
CYP1A2 P05177 1/20 0.31
PABPC1 P11940 1/20 0.31
TDP1 Q9NUW8 3/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5920072 0.95 ALDH1A1 (0.50) ALDH1A1MAPTRAB9AS100BPMM2
SCHEMBL5920332 0.87 ALDH1A1 (0.45) ALDH1A1MAPTRAB9AS100BPMM2
SCHEMBL7094845 0.85 ALDH1A1 (0.46) ALDH1A1MAPTRAB9AS100BPMM2
SCHEMBL14275467 0.81 ALDH1A1 (0.50) ALDH1A1MAPTRAB9APMM2MPI
SCHEMBL5681867 0.78 CYP3A4 (0.40) ALDH1A1MAPTRAB9ACYP3A4CYP1A2
SCHEMBL5921232 0.74 ALDH1A1 (0.41) ALDH1A1MAPTRAB9APMM2MPI
SCHEMBL5921226 0.74 ALDH1A1 (0.41) ALDH1A1MAPTRAB9APMM2MPI
SCHEMBL31264508 0.74 KMT2A (0.45) ALDH1A1MAPTRAB9APMM2MPI
SCHEMBL11516839 0.74 KMT2A (0.45) ALDH1A1MAPTRAB9APMM2MPI
SCHEMBL11516843 0.74 KMT2A (0.45) ALDH1A1MAPTRAB9APMM2MPI

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR ALDH1A1 1898/4885MAPT 1188/4885RAB9A 3026/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.